2-(chloromethyl)-4,6-diphenylpyrimidine

• ChemBase ID: 801989
• Molecular Formular: C17H13ClN2
• Molecular Mass: 280.75152
• Monoisotopic Mass: 280.07672611
• SMILES: c1c(nc(nc1c1ccccc1)CCl)c1ccccc1
• Canonical SMILES: ClCc1nc(cc(n1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C17H13ClN2/c18-12-17-19-15(13-7-3-1-4-8-13)11-16(20-17)14-9-5-2-6-10-14/h1-11H,12H2
• InChIKey: VVMZKNVXVPPZFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-4,6-diphenylpyrimidine
• IUPAC Traditional name: 2-(chloromethyl)-4,6-diphenylpyrimidine
• Synonyms: 2-(CHLOROMETHYL)-4,6-DIPHENYLPYRIMIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.220028
• LogD (pH = 7.4): 5.220038
• Log P: 5.2200384
• Molar Refractivity: 81.6283 cm^3
• Polarizability: 34.216625 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%